(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(2-methylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(2-methylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-(o-tolylmethyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-[(2-methylphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(2-methylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-(2-methylbenzyl)acrylamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O3S/c1-20-9-5-6-10-22(20)19-25(2)24(27)16-13-21-11-14-23(15-12-21)30(28,29)26-17-7-3-4-8-18-26/h5-6,9-16H,3-4,7-8,17-19H2,1-2H3/b16-13+